Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6092785 | 0.93 | KIT (0.41) | HPGDKCNH2 | |
| SCHEMBL6092075 | 0.84 | HCAR3 (0.40) | LMNA | |
| SCHEMBL6095310 | 0.82 | HCAR3 (0.42) | MERTKLMNA | |
| SCHEMBL6093483 | 0.82 | HCAR3 (0.43) | — | |
| SCHEMBL6095908 | 0.79 | HCAR3 (0.41) | — | |
| SCHEMBL6093985 | 0.79 | ROCK2 (0.35) | MELK | |
| SCHEMBL6394774 | 0.79 | ROCK2 (0.42) | LMNACYP2C9 | |
| SCHEMBL6093234 | 0.78 | KMT2A (0.46) | MAPK14LMNAKDRCYP3A4CYP2C9 | |
| SCHEMBL6092453 | 0.77 | HTR2C (0.44) | — | |
| SCHEMBL6092190 | 0.76 | BUB1 (0.47) | ALOX15LMNACYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109351-B1 | Fused pyrrolecarboxamides; GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 2006-09-19 | — | — | US | disclosed |